N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

C26H19FN4O2 — CID 44530542

IUPACN-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCn1cccc1C(=O)C(=O)Nc1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1
InChIInChI=1S/C26H19FN4O2/c1-31-14-2-3-23(31)24(32)26(33)28-20-11-8-17(9-12-20)16-4-6-18(7-5-16)25-29-21-13-10-19(27)15-22(21)30-25/h2-15H,1H3,(H,28,33)(H,29,30)
InChIKeyKLWORNGAFAVKSU-UHFFFAOYSA-N
MW438.46 g/mol
LogP5.20
Rot. Bonds5

About N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (PubChem CID 44530542) has the molecular formula C26H19FN4O2 and a molecular weight of 438.46 g/mol. Its IUPAC name is N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
PubChem CID44530542
Molecular FormulaC26H19FN4O2
Molecular Weight438.46 g/mol
Exact Mass438.15
IUPAC NameN-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCn1cccc1C(=O)C(=O)Nc1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1
InChIInChI=1S/C26H19FN4O2/c1-31-14-2-3-23(31)24(32)26(33)28-20-11-8-17(9-12-20)16-4-6-18(7-5-16)25-29-21-13-10-19(27)15-22(21)30-25/h2-15H,1H3,(H,28,33)(H,29,30)
InChIKeyKLWORNGAFAVKSU-UHFFFAOYSA-N
XLogP5.20
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The IUPAC name of N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (CID 44530542) is N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The canonical SMILES for N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is Cn1cccc1C(=O)C(=O)Nc1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The InChIKey is KLWORNGAFAVKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O2/c1-31-14-2-3-23(31)24(32)26(33)28-20-11-8-17(9-12-20)16-4-6-18(7-5-16)25-29-21-13-10-19(27)15-22(21)30-25/h2-15H,1H3,(H,28,33)(H,29,30).
What are the key properties of N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide has a molecular weight of 438.46 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 44530542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).